1-[[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C19H31N5O2S MolecularWeight: 393.54674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCCC2)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCCCC2)CN3CCCCCC3=O

InChI

InChI=1S/C19H31N5O2S/c1-2-24-16(14-23-13-9-5-6-10-17(23)25)20-21-19(24)27-15-18(26)22-11-7-3-4-8-12-22/h2-15H2,1H3